ethyl 4-[(E)-2-fluorosulfonylethenyl]benzoate

C11H11FO4S — CID 155548244

IUPACethyl 4-[(E)-2-fluorosulfonylethenyl]benzoate
SMILESCCOC(=O)c1ccc(/C=C/S(=O)(=O)F)cc1
InChIInChI=1S/C11H11FO4S/c1-2-16-11(13)10-5-3-9(4-6-10)7-8-17(12,14)15/h3-8H,2H2,1H3/b8-7+
InChIKeyFTTCCMYRVGYYAU-BQYQJAHWSA-N
MW258.27 g/mol
LogP2.13
Rot. Bonds4

About ethyl 4-[(E)-2-fluorosulfonylethenyl]benzoate

ethyl 4-[(E)-2-fluorosulfonylethenyl]benzoate (PubChem CID 155548244) has the molecular formula C11H11FO4S and a molecular weight of 258.27 g/mol. Its IUPAC name is ethyl 4-[(E)-2-fluorosulfonylethenyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[(E)-2-fluorosulfonylethenyl]benzoate
PubChem CID155548244
Molecular FormulaC11H11FO4S
Molecular Weight258.27 g/mol
Exact Mass258.04
IUPAC Nameethyl 4-[(E)-2-fluorosulfonylethenyl]benzoate
SMILESCCOC(=O)c1ccc(/C=C/S(=O)(=O)F)cc1
InChIInChI=1S/C11H11FO4S/c1-2-16-11(13)10-5-3-9(4-6-10)7-8-17(12,14)15/h3-8H,2H2,1H3/b8-7+
InChIKeyFTTCCMYRVGYYAU-BQYQJAHWSA-N
XLogP2.13
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[2-(4-methylphenyl)ethenyl]benzoate
CID 176726544
ethyl 4-[(E)-2-(3-fluorophenyl)ethenyl]benzoate
CID 138543086
ethyl 4-(2-cyclopropylethenyl)benzoate
CID 66845963
ethyl 4-[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]benzoate
CID 24640952
ethyl 4-(4-hydroxypent-1-enyl)benzoate
CID 68918809
ethyl 4-[2-(4-nitrophenyl)ethenyl]benzoate
CID 619973
ethyl 4-[4-(methylamino)but-1-enyl]benzoate
CID 170496854
ethyl 4-(3-acetamidoprop-1-enyl)benzoate
CID 169466574
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
ethyl 4-fluorobenzoate;hydrochloride
CID 175130638
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethane;ethyl 4-methylbenzoate
CID 142095143

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(E)-2-fluorosulfonylethenyl]benzoate?
The IUPAC name of ethyl 4-[(E)-2-fluorosulfonylethenyl]benzoate (CID 155548244) is ethyl 4-[(E)-2-fluorosulfonylethenyl]benzoate.
What is the SMILES notation for ethyl 4-[(E)-2-fluorosulfonylethenyl]benzoate?
The canonical SMILES for ethyl 4-[(E)-2-fluorosulfonylethenyl]benzoate is CCOC(=O)c1ccc(/C=C/S(=O)(=O)F)cc1.
What is the InChIKey of ethyl 4-[(E)-2-fluorosulfonylethenyl]benzoate?
The InChIKey is FTTCCMYRVGYYAU-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H11FO4S/c1-2-16-11(13)10-5-3-9(4-6-10)7-8-17(12,14)15/h3-8H,2H2,1H3/b8-7+.
What are the key properties of ethyl 4-[(E)-2-fluorosulfonylethenyl]benzoate?
ethyl 4-[(E)-2-fluorosulfonylethenyl]benzoate has a molecular weight of 258.27 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(E)-2-fluorosulfonylethenyl]benzoate is sourced from PubChem (CID 155548244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).